Tuberculostearic acid

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  • Identifiers

    CAS number
    542-47-2

    Molecular formula
    C19H38O2

    SMILES
    CCCCCCCCC(C)CCCCCCCCC(=O)O

    Safety labels

  • Odor profile

    Fragrance
    Waxy 80.98%
    Fatty 74.9%
    Oily 44.39%
    Creamy 29.12%
    Odorless 27.82%
    Dairy 26.93%
    Milky 24.95%
    Meaty 23.71%
    Soapy 22.38%
    Savory 21.27%

     

    Flavor
    Fatty 54.54%
    Waxy 49.0%
    Mild 38.11%
    Fat 35.46%
    Faint 32.7%
    Bland 32.46%
    Oily 30.16%
    Odorless 29.17%
    Coconut 29.02%
    Slightly waxy 26.39%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    7.7

    pKa est.
    7.24 (neutral)

    Molecular weight
    298.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    373°C

    Flash point

    • 185.01 ˚C est.

  • Synonyms

    • 10-Methyloctadecanoic acid
    • Tuberculostearic acid
    • 542-47-2
    • 10-Methylstearic acid
    • Octadecanoic acid, 10-methyl-
    • C2LR962W58
    • NSC-625426
    • CHEBI:68565
    • DTXSID50862155
    • RefChem:933622
    • DTXCID50810959
    • 10-methyl-octadecanoic acid
    • 10-methyl-stearic acid
    • NSC625426
    • 10-methyl-octadecanoate
    • SCHEMBL456683
    • UNII-C2LR962W58
    • LMFA01020396
    • HY-W708177
    • (+/-)-10-METHYLOCTADECANOIC ACID
    • NS00120358
    • Q2823320
    • 542-47-2

  • Applications

    Tuberculostearic acid (CAS 542-47-2) is a branched long-chain fatty acid used primarily as an intermediate for the synthesis of branched wax esters and specialty surfactants, enabling formulations in cosmetics and personal care as emollient esters; it is also evaluated as a precursor for fragrance compounds and can serve as a wax-like component in coatings and inks to adjust rheology and lubrication; in industrial lubricants and metalworking fluids it may be included to improve lubricity and oxidative stability; it is studied as a building block for specialty polymers and wax esters used in plastics and rubber applications to impart flexibility and performance; it may be used in polymer formulations as a reactive fatty acid derivative.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 247.87
    methanol 153.95
    isopropanol 283.21
    water 0.01
    ethyl acetate 319.66
    n-propanol 228.88
    acetone 233.11
    n-butanol 256.48
    acetonitrile 52.81
    DMF 332.78
    toluene 86.34
    isobutanol 212.95
    1,4-dioxane 331.69
    methyl acetate 150.97
    THF 1178.48
    2-butanone 312.43
    n-pentanol 206.48
    sec-butanol 242.04
    n-hexane 58.13
    ethylene glycol 5.72
    NMP 518.75
    cyclohexane 113.52
    DMSO 488.73
    n-butyl acetate 510.7
    n-octanol 131.65
    chloroform 389.27
    n-propyl acetate 458.45
    acetic acid 80.53
    dichloromethane 390.03
    cyclohexanone 745.57
    propylene glycol 34.61
    isopropyl acetate 400.37
    DMAc 487.07
    2-ethoxyethanol 326.83
    isopentanol 323.08
    n-heptane 42.16
    ethyl formate 118.35
    1,2-dichloroethane 378.14
    n-hexanol 211.88
    2-methoxyethanol 351.11
    isobutyl acetate 346.01
    tetrachloromethane 105.0
    n-pentyl acetate 500.13
    transcutol 1415.16
    n-heptanol 145.73
    ethylbenzene 84.88
    MIBK 438.53
    2-propoxyethanol 404.49
    tert-butanol 436.13
    MTBE 555.11
    2-butoxyethanol 364.75
    propionic acid 109.2
    o-xylene 86.66
    formic acid 13.78
    diethyl ether 332.74
    m-xylene 92.3
    p-xylene 111.98
    chlorobenzene 142.35
    dimethyl carbonate 43.87
    n-octane 17.68
    formamide 30.13
    cyclopentanone 675.95
    2-pentanone 410.93
    anisole 198.44
    cyclopentyl methyl ether 567.45
    gamma-butyrolactone 536.22
    1-methoxy-2-propanol 458.48
    pyridine 243.69
    3-pentanone 229.23
    furfural 340.54
    n-dodecane 9.55
    diethylene glycol 125.96
    diisopropyl ether 174.23
    tert-amyl alcohol 380.04
    acetylacetone 389.15
    n-hexadecane 11.81
    acetophenone 232.36
    methyl propionate 192.02
    isopentyl acetate 570.72
    trichloroethylene 505.1
    n-nonanol 129.81
    cyclohexanol 315.14
    benzyl alcohol 130.02
    2-ethylhexanol 196.34
    isooctanol 171.38
    dipropyl ether 381.54
    1,2-dichlorobenzene 175.18
    ethyl lactate 131.92
    propylene carbonate 305.23
    n-methylformamide 99.78
    2-pentanol 221.75
    n-pentane 32.3
    1-propoxy-2-propanol 464.69
    1-methoxy-2-propyl acetate 468.52
    2-(2-methoxypropoxy) propanol 281.96
    mesitylene 81.21
    ε-caprolactone 624.23
    p-cymene 81.0
    epichlorohydrin 655.75
    1,1,1-trichloroethane 368.07
    2-aminoethanol 46.77
    morpholine-4-carbaldehyde 456.46
    sulfolane 906.3
    2,2,4-trimethylpentane 33.82
    2-methyltetrahydrofuran 798.01
    n-hexyl acetate 465.67
    isooctane 27.15
    2-(2-butoxyethoxy)ethanol 441.68
    sec-butyl acetate 406.72
    tert-butyl acetate 602.45
    decalin 51.09
    glycerin 46.45
    diglyme 860.08
    acrylic acid 47.04
    isopropyl myristate 159.28
    n-butyric acid 369.68
    acetyl acetate 146.35
    di(2-ethylhexyl) phthalate 109.53
    ethyl propionate 327.52
    nitromethane 169.46
    1,2-diethoxyethane 607.57
    benzonitrile 133.56
    trioctyl phosphate 91.75
    1-bromopropane 281.79
    gamma-valerolactone 922.79
    n-decanol 85.8
    triethyl phosphate 160.1
    4-methyl-2-pentanol 180.84
    propionitrile 89.18
    vinylene carbonate 177.4
    1,1,2-trichlorotrifluoroethane 363.55
    DMS 162.1
    cumene 76.57
    2-octanol 129.32
    2-hexanone 429.65
    octyl acetate 182.05
    limonene 165.06
    1,2-dimethoxyethane 680.45
    ethyl orthosilicate 177.88
    tributyl phosphate 123.6
    diacetone alcohol 537.67
    N,N-dimethylaniline 156.83
    acrylonitrile 70.12
    aniline 106.82
    1,3-propanediol 134.23
    bromobenzene 160.0
    dibromomethane 282.84
    1,1,2,2-tetrachloroethane 558.75
    2-methyl-cyclohexyl acetate 352.08
    tetrabutyl urea 179.55
    diisobutyl methanol 144.14
    2-phenylethanol 158.01
    styrene 90.49
    dioctyl adipate 236.21
    dimethyl sulfate 114.69
    ethyl butyrate 429.57
    methyl lactate 90.71
    butyl lactate 299.58
    diethyl carbonate 173.39
    propanediol butyl ether 261.48
    triethyl orthoformate 325.21
    p-tert-butyltoluene 84.95
    methyl 4-tert-butylbenzoate 285.98
    morpholine 627.71
    tert-butylamine 284.57
    n-dodecanol 58.98
    dimethoxymethane 268.86
    ethylene carbonate 187.14
    cyrene 246.27
    2-ethoxyethyl acetate 455.32
    2-ethylhexyl acetate 438.59
    1,2,4-trichlorobenzene 202.06
    4-methylpyridine 277.87
    dibutyl ether 356.01
    2,6-dimethyl-4-heptanol 144.14
    DEF 429.06
    dimethyl isosorbide 569.45
    tetrachloroethylene 329.6
    eugenol 220.26
    triacetin 366.62
    span 80 272.27
    1,4-butanediol 46.29
    1,1-dichloroethane 316.56
    2-methyl-1-pentanol 234.21
    methyl formate 50.7
    2-methyl-1-butanol 250.47
    n-decane 24.54
    butyronitrile 171.0
    3,7-dimethyl-1-octanol 178.46
    1-chlorooctane 128.8
    1-chlorotetradecane 35.63
    n-nonane 24.35
    undecane 14.22
    tert-butylcyclohexane 48.48
    cyclooctane 29.45
    cyclopentanol 298.23
    tetrahydropyran 708.76
    tert-amyl methyl ether 390.58
    2,5,8-trioxanonane 462.43
    1-hexene 172.55
    2-isopropoxyethanol 314.38
    2,2,2-trifluoroethanol 28.52
    methyl butyrate 471.01

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction